SCHEMBL9500447

SCHEMBL9500447

CCCC1(C)CCCC(C)(CCC)N1O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236211 0.78
SCHEMBL10775563 0.76 GAA (0.31)
SCHEMBL10775559 0.76 GAA (0.31)
SCHEMBL7601034 0.75
SCHEMBL22401383 0.75
SCHEMBL49751 0.71 TSHR (0.31)
SCHEMBL16349255 0.71 GAA (0.37)
SCHEMBL9504112 0.70 KDM4E (0.33)
SCHEMBL11593311 0.68
SCHEMBL18459773 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402639-B2 1-alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
EP-0135280-B1 NEW POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREBY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-05-12 EP disclosed
US-4581429-A Polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-04-08 US disclosed
EP-0135280-A2 New polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-03-27 EP disclosed